Number of particles = 408 A = 1 Angstrom (basic length-scale) H0(1,1) = 14.9449 A H0(1,2) = 0 A H0(1,3) = 0 A H0(2,1) = 0 A H0(2,2) = 90.1938 A H0(2,3) = 0 A H0(3,1) = 0 A H0(3,2) = 0 A H0(3,3) = 3.60766 A .NO_VELOCITY. entry_count = 7 auxiliary[0] = id auxiliary[1] = v_mass_metal auxiliary[2] = v_csym_metal auxiliary[3] = v_particle_eng_metal 63.546000 Cu 0.127112 0.014697 0.5 209 63.546 7.68631 -3.50261 63.546000 Cu 0.150986 0.0320448 2.58694e-16 215 63.546 3.15907 -3.4344 63.546000 Cu 0.00237639 0.0146926 0 206 63.546 3.45855 -3.45916 63.546000 Cu 0.0247682 0.0353756 0.5 213 63.546 0.654993 -3.4627 63.546000 Cu 0.271849 0.027647 0.5 217 63.546 8.99316 -3.40133 63.546000 Cu 0.272026 0.00177094 0.5 210 63.546 9.0007 -3.40112 63.546000 Cu 0.379544 0.0147323 6.87607e-17 219 63.546 8.08325 -3.27324 63.546000 Cu 0.416351 0.0390552 0.5 222 63.546 0.579127 -3.44292 63.546000 Cu 0.524768 0.0353756 0 220 63.546 0.654993 -3.4627 63.546000 Cu 0.502376 0.0146926 0.5 221 63.546 3.45855 -3.45916 63.546000 Cu 0.627112 0.014697 1 223 63.546 7.68631 -3.50261 63.546000 Cu 0.650986 0.0320448 0.5 226 63.546 3.15907 -3.4344 63.546000 Cu 0.771849 0.027647 1 224 63.546 8.99316 -3.40133 63.546000 Cu 0.772026 0.00177094 0 205 63.546 9.0007 -3.40112 63.546000 Cu 0.879544 0.0147323 0.5 207 63.546 8.08325 -3.27324 63.546000 Cu 0.916351 0.0390552 0 211 63.546 0.579127 -3.44292 63.546000 Cu 0.0595341 0.0551827 1.94021e-16 212 63.546 0.0587836 -3.5354 63.546000 Cu 0.177687 0.0509904 0.5 218 63.546 0.0964641 -3.52671 63.546000 Cu 0.0894395 0.074806 0.5 231 63.546 0.00989087 -3.53853 63.546000 Cu 0.208823 0.0697948 0 233 63.546 0.0125774 -3.53728 63.546000 Cu 0.300278 0.0452914 4.64015e-17 216 63.546 0.431072 -3.47549 63.546000 Cu 0.327057 0.0647109 0.5 235 63.546 0.0296959 -3.53392 63.546000 Cu 0.443029 0.059844 0 237 63.546 0.0362526 -3.53379 63.546000 Cu 0.472234 0.0795367 0.5 240 63.546 0.00215398 -3.53972 63.546000 Cu 0.58944 0.074806 1.44494e-16 238 63.546 0.00989087 -3.53853 63.546000 Cu 0.559534 0.0551827 0.5 239 63.546 0.0587836 -3.5354 63.546000 Cu 0.677687 0.0509904 1 241 63.546 0.0964641 -3.52671 63.546000 Cu 0.708823 0.0697948 0.5 244 63.546 0.0125774 -3.53728 63.546000 Cu 0.943029 0.059844 0.5 214 63.546 0.0362526 -3.53379 63.546000 Cu 0.972234 0.0795367 0 229 63.546 0.00215398 -3.53972 63.546000 Cu 0.827057 0.0647109 1 242 63.546 0.0296959 -3.53392 63.546000 Cu 0.800278 0.0452914 0.5 243 63.546 0.431072 -3.47549 63.546000 Cu 0.119509 0.0941329 1 230 63.546 0.000971405 -3.53982 63.546000 Cu 0.237467 0.0891962 0.5 236 63.546 0.00217959 -3.53958 63.546000 Cu 0.148612 0.113609 0.5 249 63.546 0.000235558 -3.5399 63.546000 Cu 0.00144888 0.0990909 0.5 232 63.546 0.00124373 -3.5399 63.546000 Cu 0.0308465 0.118518 0 247 63.546 9.79248e-05 -3.53992 63.546000 Cu 0.266252 0.10874 1 251 63.546 0.000129058 -3.53994 63.546000 Cu 0.355064 0.0843717 1 234 63.546 0.00116877 -3.53979 63.546000 Cu 0.383874 0.103906 0.5 253 63.546 0.000210915 -3.53995 63.546000 Cu 0.501449 0.0990909 1 255 63.546 0.00124373 -3.5399 63.546000 Cu 0.530847 0.118518 0.5 258 63.546 9.79248e-05 -3.53992 63.546000 Cu 0.648612 0.113609 1 256 63.546 0.000235558 -3.5399 63.546000 Cu 0.619509 0.0941329 0.5 257 63.546 0.000971405 -3.53982 63.546000 Cu 0.737467 0.0891962 1 259 63.546 0.00217959 -3.53958 63.546000 Cu 0.766252 0.10874 0.5 260 63.546 0.000129058 -3.53994 63.546000 Cu 0.883874 0.103906 1 227 63.546 0.000210915 -3.53995 63.546000 Cu 0.855064 0.0843717 0.5 228 63.546 0.00116877 -3.53979 63.546000 Cu 0.177693 0.133116 2.09648e-16 248 63.546 2.86537e-05 -3.53995 63.546000 Cu 0.0600039 0.138001 0.5 250 63.546 2.63224e-05 -3.53994 63.546000 Cu 0.0891567 0.157492 2.11812e-16 265 63.546 1.32317e-05 -3.53995 63.546000 Cu 0.206862 0.152623 0.5 267 63.546 2.25406e-05 -3.53995 63.546000 Cu 0.412959 0.123413 1 252 63.546 0.000224445 -3.53996 63.546000 Cu 0.295344 0.128254 0.5 254 63.546 2.98732e-05 -3.53996 63.546000 Cu 0.324522 0.147758 8.84754e-17 269 63.546 4.00785e-05 -3.53996 63.546000 Cu 0.442283 0.142879 0.5 271 63.546 2.58977e-05 -3.53995 63.546000 Cu 0.560004 0.138001 2.76005e-16 273 63.546 2.63224e-05 -3.53994 63.546000 Cu 0.706862 0.152623 2.43788e-16 274 63.546 2.25406e-05 -3.53995 63.546000 Cu 0.677693 0.133116 0.5 275 63.546 2.86537e-05 -3.53995 63.546000 Cu 0.589157 0.157492 0.5 276 63.546 1.32317e-05 -3.53995 63.546000 Cu 0.942283 0.142879 0 245 63.546 2.58977e-05 -3.53995 63.546000 Cu 0.912959 0.123413 0.5 246 63.546 0.000224445 -3.53996 63.546000 Cu 0.795344 0.128254 1 277 63.546 2.98732e-05 -3.53996 63.546000 Cu 0.824522 0.147758 0.5 278 63.546 4.00785e-05 -3.53996 63.546000 Cu 0.235951 0.172103 2.13495e-16 266 63.546 8.11338e-06 -3.53995 63.546000 Cu 0.118223 0.176983 0.5 268 63.546 2.5131e-05 -3.53994 63.546000 Cu 0.147229 0.196448 1 283 63.546 1.38893e-05 -3.53993 63.546000 Cu 0.000468778 0.181849 1 262 63.546 8.85269e-06 -3.53994 63.546000 Cu 0.264981 0.191581 0.5 285 63.546 5.49926e-06 -3.53993 63.546000 Cu 0.471418 0.162364 2.66869e-16 270 63.546 9.25971e-06 -3.53995 63.546000 Cu 0.353687 0.167232 0.5 272 63.546 9.64879e-06 -3.53995 63.546000 Cu 0.382755 0.186715 1.86808e-16 287 63.546 1.77269e-05 -3.53994 63.546000 Cu 0.500469 0.181849 0.5 289 63.546 8.85269e-06 -3.53994 63.546000 Cu 0.618223 0.176983 1.35117e-16 291 63.546 2.5131e-05 -3.53994 63.546000 Cu 0.735951 0.172103 0.5 293 63.546 8.11338e-06 -3.53995 63.546000 Cu 0.647229 0.196448 0.5 294 63.546 1.38893e-05 -3.53993 63.546000 Cu 0.764981 0.191581 1.38243e-16 292 63.546 5.49926e-06 -3.53993 63.546000 Cu 0.853687 0.167232 4.44781e-17 261 63.546 9.64879e-06 -3.53995 63.546000 Cu 0.971418 0.162364 0.5 263 63.546 9.25971e-06 -3.53995 63.546000 Cu 0.882755 0.186715 0.5 264 63.546 1.77269e-05 -3.53994 63.546000 Cu 0.0584229 0.220791 1 280 63.546 3.6804e-05 -3.53993 63.546000 Cu 0.17619 0.215927 0.5 286 63.546 8.50626e-06 -3.53993 63.546000 Cu 0.205191 0.235409 0 301 63.546 2.77552e-05 -3.53995 63.546000 Cu 0.0294618 0.201333 0.5 281 63.546 2.72793e-05 -3.53993 63.546000 Cu 0.293972 0.21106 0 284 63.546 1.14208e-05 -3.53993 63.546000 Cu 0.411675 0.206195 0.5 290 63.546 7.95865e-06 -3.53993 63.546000 Cu 0.322844 0.230544 0.5 303 63.546 8.79156e-05 -3.53994 63.546000 Cu 0.440643 0.225675 1.18769e-16 305 63.546 2.86189e-05 -3.53994 63.546000 Cu 0.529462 0.201333 1.82721e-17 288 63.546 2.72793e-05 -3.53993 63.546000 Cu 0.558423 0.220791 0.5 307 63.546 3.6804e-05 -3.53993 63.546000 Cu 0.67619 0.215927 1.44494e-16 309 63.546 8.50626e-06 -3.53993 63.546000 Cu 0.705191 0.235409 0.5 312 63.546 2.77552e-05 -3.53995 63.546000 Cu 0.911675 0.206195 0 279 63.546 7.95865e-06 -3.53993 63.546000 Cu 0.940643 0.225675 0.5 282 63.546 2.86189e-05 -3.53994 63.546000 Cu 0.822844 0.230544 1 310 63.546 8.79156e-05 -3.53994 63.546000 Cu 0.793972 0.21106 0.5 311 63.546 1.14208e-05 -3.53993 63.546000 Cu 0.116663 0.259774 1 298 63.546 1.35462e-05 -3.53996 63.546000 Cu 0.0874561 0.240281 0.5 299 63.546 3.34063e-05 -3.53996 63.546000 Cu 0.234294 0.254904 0.5 304 63.546 5.92104e-05 -3.53996 63.546000 Cu 0.145956 0.279269 0.5 317 63.546 1.22418e-05 -3.53997 63.546000 Cu 0.263657 0.274392 1 319 63.546 3.96374e-06 -3.53997 63.546000 Cu 0.352032 0.250028 1.94742e-17 302 63.546 2.47295e-05 -3.53996 63.546000 Cu 0.469752 0.245152 0.5 308 63.546 2.84849e-05 -3.53995 63.546000 Cu 0.381349 0.269514 0.5 321 63.546 1.17316e-05 -3.53996 63.546000 Cu 0.498995 0.264639 1.44253e-18 323 63.546 2.14156e-05 -3.53997 63.546000 Cu 0.587456 0.240281 1.18288e-16 306 63.546 3.34063e-05 -3.53996 63.546000 Cu 0.645956 0.279269 1.42811e-16 324 63.546 1.22418e-05 -3.53997 63.546000 Cu 0.616663 0.259774 0.5 325 63.546 1.35462e-05 -3.53996 63.546000 Cu 0.734294 0.254904 3.32504e-16 327 63.546 5.92104e-05 -3.53996 63.546000 Cu 0.763657 0.274392 0.5 328 63.546 3.96374e-06 -3.53997 63.546000 Cu 0.881349 0.269514 2.72158e-16 295 63.546 1.17316e-05 -3.53996 63.546000 Cu 0.852032 0.250028 0.5 296 63.546 2.47295e-05 -3.53996 63.546000 Cu 0.969752 0.245152 1 297 63.546 2.84849e-05 -3.53995 63.546000 Cu 0.998995 0.264639 0.5 300 63.546 2.14156e-05 -3.53997 63.546000 Cu 0.175362 0.298769 0 316 63.546 1.47425e-05 -3.53997 63.546000 Cu 0.057705 0.303639 0.5 318 63.546 2.72475e-05 -3.53997 63.546000 Cu 0.20485 0.318262 0.5 335 63.546 5.98856e-06 -3.53996 63.546000 Cu 0.0283058 0.28415 0 315 63.546 2.87342e-05 -3.53997 63.546000 Cu 0.410669 0.28901 1.20932e-16 320 63.546 2.19942e-05 -3.53997 63.546000 Cu 0.293003 0.293887 0.5 322 63.546 2.00865e-05 -3.53997 63.546000 Cu 0.322471 0.313391 5.5826e-16 337 63.546 3.46903e-06 -3.53997 63.546000 Cu 0.440101 0.308523 0.5 339 63.546 1.58423e-05 -3.53997 63.546000 Cu 0.528306 0.28415 0.5 326 63.546 2.87342e-05 -3.53997 63.546000 Cu 0.557705 0.303639 2.40422e-19 341 63.546 2.72475e-05 -3.53997 63.546000 Cu 0.70485 0.318262 1 342 63.546 5.98856e-06 -3.53996 63.546000 Cu 0.675362 0.298769 0.5 343 63.546 1.47425e-05 -3.53997 63.546000 Cu 0.940101 0.308523 1 313 63.546 1.58423e-05 -3.53997 63.546000 Cu 0.910669 0.28901 0.5 314 63.546 2.19942e-05 -3.53997 63.546000 Cu 0.793003 0.293887 2.00031e-16 345 63.546 2.00865e-05 -3.53997 63.546000 Cu 0.822471 0.313391 0.5 346 63.546 3.46903e-06 -3.53997 63.546000 Cu 0.0872468 0.323146 1 333 63.546 1.64178e-05 -3.53997 63.546000 Cu 0.234343 0.337767 0 334 63.546 3.09325e-05 -3.53997 63.546000 Cu 0.116675 0.342647 0.5 336 63.546 2.41673e-05 -3.53996 63.546000 Cu 0.26368 0.357265 0.5 353 63.546 2.80771e-05 -3.53997 63.546000 Cu 0.469582 0.328018 1.57717e-16 338 63.546 1.61791e-05 -3.53996 63.546000 Cu 0.352001 0.332895 0.5 340 63.546 4.37096e-05 -3.53997 63.546000 Cu 0.381301 0.352396 1 355 63.546 8.67945e-06 -3.53996 63.546000 Cu 0.498982 0.347528 0.5 357 63.546 1.96428e-05 -3.53997 63.546000 Cu 0.587247 0.323146 0.5 344 63.546 1.64178e-05 -3.53997 63.546000 Cu 0.616675 0.342647 2.46673e-16 359 63.546 2.41673e-05 -3.53996 63.546000 Cu 0.734343 0.337767 0.5 361 63.546 3.09325e-05 -3.53997 63.546000 Cu 0.76368 0.357265 4.07756e-16 360 63.546 2.80771e-05 -3.53997 63.546000 Cu 0.852001 0.332895 1 329 63.546 4.37096e-05 -3.53997 63.546000 Cu 0.998982 0.347528 0 330 63.546 1.96428e-05 -3.53997 63.546000 Cu 0.969582 0.328018 0.5 331 63.546 1.61791e-05 -3.53996 63.546000 Cu 0.881301 0.352396 0.5 332 63.546 8.67945e-06 -3.53996 63.546000 Cu 0.0574756 0.38652 1.92338e-16 348 63.546 1.33404e-05 -3.53996 63.546000 Cu 0.145967 0.362142 0 351 63.546 1.02444e-05 -3.53996 63.546000 Cu 0.175232 0.381637 0.5 354 63.546 3.86411e-05 -3.53997 63.546000 Cu 0.0282657 0.367029 0.5 349 63.546 1.52322e-05 -3.53995 63.546000 Cu 0.292858 0.376774 1 352 63.546 5.14934e-06 -3.53996 63.546000 Cu 0.41056 0.371902 0.5 358 63.546 9.22133e-06 -3.53996 63.546000 Cu 0.322058 0.396281 0.5 371 63.546 2.41389e-05 -3.53996 63.546000 Cu 0.439734 0.391417 1 373 63.546 8.27447e-05 -3.53994 63.546000 Cu 0.528266 0.367029 0 356 63.546 1.52322e-05 -3.53995 63.546000 Cu 0.645967 0.362142 0.5 362 63.546 1.02444e-05 -3.53996 63.546000 Cu 0.557476 0.38652 0.5 375 63.546 1.33404e-05 -3.53996 63.546000 Cu 0.675232 0.381637 1.89934e-16 377 63.546 3.86411e-05 -3.53997 63.546000 Cu 0.91056 0.371902 1.91136e-16 347 63.546 9.22133e-06 -3.53996 63.546000 Cu 0.939734 0.391417 0.5 350 63.546 8.27447e-05 -3.53994 63.546000 Cu 0.822058 0.396281 2.3946e-16 378 63.546 2.41389e-05 -3.53996 63.546000 Cu 0.792858 0.376774 0.5 379 63.546 5.14934e-06 -3.53996 63.546000 Cu 0.116101 0.425512 1.96425e-16 366 63.546 0.000253209 -3.53995 63.546000 Cu 0.0868016 0.405998 0.5 367 63.546 0.000179222 -3.53997 63.546000 Cu 0.204407 0.401151 3.21925e-16 369 63.546 2.7221e-05 -3.53997 63.546000 Cu 0.233628 0.420673 0.5 372 63.546 9.61745e-05 -3.53994 63.546000 Cu 0.351275 0.415814 1 370 63.546 0.000360251 -3.53991 63.546000 Cu 0.468978 0.410894 0.5 376 63.546 0.000115783 -3.53993 63.546000 Cu 0.380516 0.435287 0.5 389 63.546 0.000893812 -3.53983 63.546000 Cu 0.498579 0.430329 1 391 63.546 0.00134055 -3.5399 63.546000 Cu 0.586802 0.405998 0 374 63.546 0.000179222 -3.53997 63.546000 Cu 0.704407 0.401151 0.5 380 63.546 2.7221e-05 -3.53997 63.546000 Cu 0.616101 0.425512 0.5 393 63.546 0.000253209 -3.53995 63.546000 Cu 0.733628 0.420673 0 395 63.546 9.61745e-05 -3.53994 63.546000 Cu 0.880516 0.435287 1 363 63.546 0.000893812 -3.53983 63.546000 Cu 0.851275 0.415814 0.5 364 63.546 0.000360251 -3.53991 63.546000 Cu 0.968978 0.410894 3.56065e-16 365 63.546 0.000115783 -3.53993 63.546000 Cu 0.998579 0.430329 0.5 368 63.546 0.00134055 -3.5399 63.546000 Cu 0.173149 0.464729 1 384 63.546 0.0297671 -3.53394 63.546000 Cu 0.14506 0.445058 0.5 385 63.546 0.00113946 -3.5398 63.546000 Cu 0.0571919 0.469594 0.5 386 63.546 0.0363841 -3.53373 63.546000 Cu 0.0278883 0.449897 2.88507e-17 383 63.546 0.00211518 -3.53973 63.546000 Cu 0.26257 0.440224 1 387 63.546 0.00220582 -3.5396 63.546000 Cu 0.410654 0.454615 0 388 63.546 0.0101737 -3.53846 63.546000 Cu 0.291348 0.459633 0.5 390 63.546 0.0125968 -3.5373 63.546000 Cu 0.440626 0.474259 0.5 403 63.546 0.058694 -3.53538 63.546000 Cu 0.322528 0.478435 0 401 63.546 0.0993759 -3.5267 63.546000 Cu 0.527888 0.449897 0.5 394 63.546 0.00211518 -3.53973 63.546000 Cu 0.64506 0.445058 1 392 63.546 0.00113946 -3.5398 63.546000 Cu 0.557192 0.469594 2.45711e-16 405 63.546 0.0363841 -3.53373 63.546000 Cu 0.673149 0.464729 0.5 407 63.546 0.0297671 -3.53394 63.546000 Cu 0.76257 0.440224 0.5 396 63.546 0.00220582 -3.5396 63.546000 Cu 0.791348 0.459633 1 8 63.546 0.0125968 -3.5373 63.546000 Cu 0.940626 0.474259 1.15883e-16 381 63.546 0.058694 -3.53538 63.546000 Cu 0.910654 0.454615 0.5 382 63.546 0.0101737 -3.53846 63.546000 Cu 0.822528 0.478435 0.5 1 63.546 0.0993759 -3.5267 63.546000 Cu 0.120662 0.514742 0.5 5 63.546 8.06889 -3.27418 63.546000 Cu 0.228294 0.501801 1 6 63.546 8.99364 -3.40013 63.546000 Cu 0.0838832 0.490381 1 399 63.546 0.583413 -3.44214 63.546000 Cu 0.199941 0.484142 0.5 400 63.546 0.432707 -3.47523 63.546000 Cu 0.373094 0.514721 1 9 63.546 7.67508 -3.50213 63.546000 Cu 0.475461 0.494049 1.50504e-16 402 63.546 0.662352 -3.46215 63.546000 Cu 0.349128 0.49738 0.5 404 63.546 3.17398 -3.43424 63.546000 Cu 0.497788 0.514719 0.5 11 63.546 3.443 -3.45956 63.546000 Cu 0.728294 0.501801 0.5 2 63.546 8.99364 -3.40013 63.546000 Cu 0.620662 0.514742 0 13 63.546 8.06889 -3.27418 63.546000 Cu 0.699941 0.484142 1 406 63.546 0.432707 -3.47523 63.546000 Cu 0.583883 0.490381 0.5 408 63.546 0.583413 -3.44214 63.546000 Cu 0.997788 0.514719 2.21669e-16 3 63.546 3.443 -3.45956 63.546000 Cu 0.873094 0.514721 0.5 4 63.546 7.67508 -3.50213 63.546000 Cu 0.849128 0.49738 0 397 63.546 3.17398 -3.43424 63.546000 Cu 0.975461 0.494049 0.5 398 63.546 0.662352 -3.46215 63.546000 Cu 0.0837794 0.539069 3.63037e-16 21 63.546 0.580097 -3.44293 63.546000 Cu 0.0571135 0.559857 0.5 22 63.546 0.0361908 -3.53379 63.546000 Cu 0.199854 0.545297 0.5 24 63.546 0.431289 -3.47551 63.546000 Cu 0.228263 0.527653 1 7 63.546 8.98957 -3.40074 63.546000 Cu 0.349153 0.532068 0.5 12 63.546 3.16708 -3.43441 63.546000 Cu 0.322441 0.551 2.3946e-16 25 63.546 0.0964914 -3.52662 63.546000 Cu 0.44058 0.5552 0.5 27 63.546 0.0590879 -3.53535 63.546000 Cu 0.475389 0.535395 1 10 63.546 0.656935 -3.46231 63.546000 Cu 0.699854 0.545297 4.19296e-16 14 63.546 0.431289 -3.47551 63.546000 Cu 0.583779 0.539069 0.5 16 63.546 0.580097 -3.44293 63.546000 Cu 0.557113 0.559857 1.19009e-16 29 63.546 0.0361908 -3.53379 63.546000 Cu 0.728263 0.527653 0.5 15 63.546 8.98957 -3.40074 63.546000 Cu 0.975389 0.535395 0.5 19 63.546 0.656935 -3.46231 63.546000 Cu 0.849153 0.532068 2.58935e-16 17 63.546 3.16708 -3.43441 63.546000 Cu 0.94058 0.5552 1.24539e-16 18 63.546 0.0590879 -3.53535 63.546000 Cu 0.822441 0.551 0.5 20 63.546 0.0964914 -3.52662 63.546000 Cu 0.173037 0.564714 5.56337e-16 23 63.546 0.0299434 -3.53395 63.546000 Cu 0.0278585 0.579548 6.97224e-17 37 63.546 0.00221886 -3.53972 63.546000 Cu 0.144979 0.584381 0.5 40 63.546 0.00118823 -3.5398 63.546000 Cu 0.410646 0.574815 0 26 63.546 0.00976415 -3.53851 63.546000 Cu 0.291278 0.569798 0.5 28 63.546 0.0127366 -3.53729 63.546000 Cu 0.26258 0.589207 1.69498e-16 41 63.546 0.00212929 -3.53959 63.546000 Cu 0.380514 0.594144 0.5 43 63.546 0.000979751 -3.53983 63.546000 Cu 0.498571 0.599102 1 45 63.546 0.00125136 -3.5399 63.546000 Cu 0.644979 0.584381 1 30 63.546 0.00118823 -3.5398 63.546000 Cu 0.673037 0.564714 0.5 31 63.546 0.0299434 -3.53395 63.546000 Cu 0.527858 0.579548 0.5 32 63.546 0.00221886 -3.53972 63.546000 Cu 0.998571 0.599102 0.5 39 63.546 0.00125136 -3.5399 63.546000 Cu 0.791278 0.569798 1 33 63.546 0.0127366 -3.53729 63.546000 Cu 0.880514 0.594144 1 34 63.546 0.000979751 -3.53983 63.546000 Cu 0.910646 0.574815 0.5 35 63.546 0.00976415 -3.53851 63.546000 Cu 0.76258 0.589207 0.5 36 63.546 0.00212929 -3.53959 63.546000 Cu 0.116146 0.603916 0 38 63.546 0.000211223 -3.53996 63.546000 Cu 0.0870462 0.623425 0.5 55 63.546 0.000229439 -3.53996 63.546000 Cu 0.204663 0.628265 2.87305e-16 57 63.546 2.90045e-05 -3.53996 63.546000 Cu 0.233745 0.608748 0.5 44 63.546 0.000117941 -3.53994 63.546000 Cu 0.351366 0.613622 1.18047e-16 42 63.546 0.000232688 -3.5399 63.546000 Cu 0.322314 0.633126 0.5 59 63.546 3.22113e-05 -3.53995 63.546000 Cu 0.440006 0.638013 7.1165e-17 61 63.546 3.24955e-05 -3.53994 63.546000 Cu 0.469143 0.618529 0.5 48 63.546 0.000113393 -3.53993 63.546000 Cu 0.587046 0.623425 0 46 63.546 0.000229439 -3.53996 63.546000 Cu 0.616146 0.603916 0.5 47 63.546 0.000211223 -3.53996 63.546000 Cu 0.704663 0.628265 0.5 52 63.546 2.90045e-05 -3.53996 63.546000 Cu 0.733745 0.608748 1.17086e-16 49 63.546 0.000117941 -3.53994 63.546000 Cu 0.969143 0.618529 0 53 63.546 0.000113393 -3.53993 63.546000 Cu 0.822314 0.633126 1.17566e-16 50 63.546 3.22113e-05 -3.53995 63.546000 Cu 0.851366 0.613622 0.5 51 63.546 0.000232688 -3.5399 63.546000 Cu 0.940006 0.638013 0.5 56 63.546 3.24955e-05 -3.53994 63.546000 Cu 0.0577504 0.642887 6.78231e-16 54 63.546 2.80571e-05 -3.53995 63.546000 Cu 0.175514 0.647766 0.5 60 63.546 4.41128e-05 -3.53996 63.546000 Cu 0.0286582 0.662368 0.5 71 63.546 4.85133e-06 -3.53995 63.546000 Cu 0.146389 0.667234 6.77991e-17 74 63.546 3.20014e-06 -3.53994 63.546000 Cu 0.293178 0.652631 1 58 63.546 3.46629e-05 -3.53995 63.546000 Cu 0.410904 0.657498 0.5 64 63.546 1.04997e-05 -3.53994 63.546000 Cu 0.264126 0.672102 0.5 76 63.546 3.16093e-06 -3.53995 63.546000 Cu 0.381859 0.676982 1 77 63.546 1.74894e-05 -3.53994 63.546000 Cu 0.528658 0.662368 4.08718e-17 62 63.546 4.85133e-06 -3.53995 63.546000 Cu 0.55775 0.642887 0.5 63 63.546 2.80571e-05 -3.53995 63.546000 Cu 0.675514 0.647766 1 65 63.546 4.41128e-05 -3.53996 63.546000 Cu 0.646389 0.667234 0.5 68 63.546 3.20014e-06 -3.53994 63.546000 Cu 0.764126 0.672102 1.18047e-16 66 63.546 3.16093e-06 -3.53995 63.546000 Cu 0.793178 0.652631 0.5 67 63.546 3.46629e-05 -3.53995 63.546000 Cu 0.910904 0.657498 1 69 63.546 1.04997e-05 -3.53994 63.546000 Cu 0.881859 0.676982 0.5 72 63.546 1.74894e-05 -3.53994 63.546000 Cu 0.117306 0.686709 0.5 73 63.546 6.45778e-06 -3.53994 63.546000 Cu 0.0883029 0.706187 1.63728e-16 89 63.546 6.68761e-06 -3.53994 63.546000 Cu 0.205994 0.71105 0.5 92 63.546 1.0292e-05 -3.53994 63.546000 Cu 0.235068 0.691576 8.6552e-17 75 63.546 3.5747e-06 -3.53994 63.546000 Cu 0.352789 0.696441 0.5 80 63.546 1.25752e-05 -3.53994 63.546000 Cu 0.323757 0.715916 1.83442e-16 93 63.546 6.42212e-06 -3.53994 63.546000 Cu 0.47054 0.701322 2.20467e-16 78 63.546 1.3085e-05 -3.53994 63.546000 Cu 0.499605 0.681847 0.5 79 63.546 5.05244e-06 -3.53994 63.546000 Cu 0.617306 0.686709 5.38786e-16 81 63.546 6.45778e-06 -3.53994 63.546000 Cu 0.705994 0.71105 1 82 63.546 1.0292e-05 -3.53994 63.546000 Cu 0.588303 0.706187 0.5 84 63.546 6.68761e-06 -3.53994 63.546000 Cu 0.735068 0.691576 0.5 83 63.546 3.5747e-06 -3.53994 63.546000 Cu 0.999605 0.681847 0 70 63.546 5.05244e-06 -3.53994 63.546000 Cu 0.97054 0.701322 0.5 87 63.546 1.3085e-05 -3.53994 63.546000 Cu 0.852789 0.696441 1 85 63.546 1.25752e-05 -3.53994 63.546000 Cu 0.823757 0.715916 0.5 88 63.546 6.42212e-06 -3.53994 63.546000 Cu 0.0592531 0.725661 0.5 90 63.546 7.62745e-06 -3.53995 63.546000 Cu 0.177035 0.730532 1 91 63.546 3.55533e-05 -3.53995 63.546000 Cu 0.0301427 0.745135 1 105 63.546 5.6368e-06 -3.53995 63.546000 Cu 0.14788 0.750011 0.5 108 63.546 2.16522e-06 -3.53995 63.546000 Cu 0.412433 0.740265 1 94 63.546 4.9643e-06 -3.53995 63.546000 Cu 0.441492 0.720781 0.5 95 63.546 1.9583e-05 -3.53994 63.546000 Cu 0.294695 0.735398 0.5 96 63.546 4.8718e-06 -3.53995 63.546000 Cu 0.26564 0.754882 5.33737e-17 109 63.546 1.52206e-05 -3.53995 63.546000 Cu 0.38332 0.759753 0.5 111 63.546 2.43513e-06 -3.53995 63.546000 Cu 0.559253 0.725661 1 97 63.546 7.62745e-06 -3.53995 63.546000 Cu 0.64788 0.750011 5.67396e-17 98 63.546 2.16522e-06 -3.53995 63.546000 Cu 0.677035 0.730532 0.5 99 63.546 3.55533e-05 -3.53995 63.546000 Cu 0.530143 0.745135 0.5 100 63.546 5.6368e-06 -3.53995 63.546000 Cu 0.941492 0.720781 1 86 63.546 1.9583e-05 -3.53994 63.546000 Cu 0.794695 0.735398 1 101 63.546 4.8718e-06 -3.53995 63.546000 Cu 0.88332 0.759753 0 102 63.546 2.43513e-06 -3.53995 63.546000 Cu 0.912433 0.740265 0.5 103 63.546 4.9643e-06 -3.53995 63.546000 Cu 0.76564 0.754882 0.5 104 63.546 1.52206e-05 -3.53995 63.546000 Cu 0.118728 0.769489 2.60858e-16 106 63.546 1.01298e-05 -3.53995 63.546000 Cu 0.00102946 0.764617 0.5 107 63.546 1.05403e-05 -3.53996 63.546000 Cu 0.0895903 0.788979 0.5 123 63.546 2.86928e-05 -3.53996 63.546000 Cu 0.207299 0.793853 2.45711e-16 125 63.546 4.36614e-05 -3.53996 63.546000 Cu 0.236457 0.774367 0.5 112 63.546 3.41433e-06 -3.53996 63.546000 Cu 0.354207 0.77924 1.21894e-16 110 63.546 1.61617e-05 -3.53996 63.546000 Cu 0.324956 0.798734 0.5 127 63.546 2.73636e-05 -3.53997 63.546000 Cu 0.471911 0.784116 0.5 116 63.546 2.86069e-05 -3.53996 63.546000 Cu 0.501029 0.764617 2.31767e-16 113 63.546 1.05403e-05 -3.53996 63.546000 Cu 0.58959 0.788979 1.92097e-16 114 63.546 2.86928e-05 -3.53996 63.546000 Cu 0.618728 0.769489 0.5 115 63.546 1.01298e-05 -3.53995 63.546000 Cu 0.707299 0.793853 0.5 120 63.546 4.36614e-05 -3.53996 63.546000 Cu 0.736457 0.774367 1 117 63.546 3.41433e-06 -3.53996 63.546000 Cu 0.971911 0.784116 0 121 63.546 2.86069e-05 -3.53996 63.546000 Cu 0.824956 0.798734 1 118 63.546 2.73636e-05 -3.53997 63.546000 Cu 0.854207 0.77924 0.5 119 63.546 1.61617e-05 -3.53996 63.546000 Cu 0.0603002 0.808483 1 122 63.546 3.95278e-05 -3.53997 63.546000 Cu 0.177954 0.81335 0.5 128 63.546 3.91756e-05 -3.53997 63.546000 Cu 0.0308273 0.827978 0.5 139 63.546 3.47428e-06 -3.53997 63.546000 Cu 0.148413 0.832854 1.20692e-16 142 63.546 9.81495e-06 -3.53997 63.546000 Cu 0.295578 0.818226 1.21413e-16 126 63.546 1.90511e-05 -3.53996 63.546000 Cu 0.442659 0.803604 1 129 63.546 5.22454e-05 -3.53997 63.546000 Cu 0.413185 0.823106 0.5 132 63.546 3.66276e-06 -3.53997 63.546000 Cu 0.26606 0.837727 0.5 144 63.546 4.23946e-06 -3.53997 63.546000 Cu 0.530827 0.827978 1.18769e-16 130 63.546 3.47428e-06 -3.53997 63.546000 Cu 0.5603 0.808483 0.5 131 63.546 3.95278e-05 -3.53997 63.546000 Cu 0.677954 0.81335 1.21173e-16 133 63.546 3.91756e-05 -3.53997 63.546000 Cu 0.648413 0.832854 0.5 136 63.546 9.81495e-06 -3.53997 63.546000 Cu 0.942659 0.803604 0.5 124 63.546 5.22454e-05 -3.53997 63.546000 Cu 0.76606 0.837727 0 134 63.546 4.23946e-06 -3.53997 63.546000 Cu 0.795578 0.818226 0.5 135 63.546 1.90511e-05 -3.53996 63.546000 Cu 0.913185 0.823106 1 137 63.546 3.66276e-06 -3.53997 63.546000 Cu 0.00134531 0.847483 0 138 63.546 1.39879e-05 -3.53997 63.546000 Cu 0.118973 0.852353 0.5 141 63.546 2.01696e-05 -3.53996 63.546000 Cu 0.0896553 0.871856 0 157 63.546 2.56431e-05 -3.53997 63.546000 Cu 0.207337 0.876729 0.5 160 63.546 1.33913e-05 -3.53996 63.546000 Cu 0.236583 0.857223 1.64449e-16 143 63.546 4.79226e-05 -3.53997 63.546000 Cu 0.383691 0.842603 1 145 63.546 9.6862e-06 -3.53996 63.546000 Cu 0.354265 0.8621 0.5 148 63.546 3.18434e-05 -3.53997 63.546000 Cu 0.471973 0.866987 1 146 63.546 3.4935e-05 -3.53996 63.546000 Cu 0.501345 0.847483 0.5 147 63.546 1.39879e-05 -3.53997 63.546000 Cu 0.618973 0.852353 1 149 63.546 2.01696e-05 -3.53996 63.546000 Cu 0.707337 0.876729 0 150 63.546 1.33913e-05 -3.53996 63.546000 Cu 0.589655 0.871856 0.5 152 63.546 2.56431e-05 -3.53997 63.546000 Cu 0.736583 0.857223 0.5 151 63.546 4.79226e-05 -3.53997 63.546000 Cu 0.971973 0.866987 0.5 155 63.546 3.4935e-05 -3.53996 63.546000 Cu 0.883691 0.842603 0.5 140 63.546 9.6862e-06 -3.53996 63.546000 Cu 0.854265 0.8621 3.77463e-17 153 63.546 3.18434e-05 -3.53997 63.546000 Cu 0.0605001 0.891369 0.5 158 63.546 8.16316e-05 -3.53994 63.546000 Cu 0.178177 0.896235 1.65891e-17 159 63.546 1.69692e-05 -3.53995 63.546000 Cu 0.0313434 0.910846 2.34652e-16 173 63.546 9.45374e-05 -3.53992 63.546000 Cu 0.149068 0.915762 0.5 176 63.546 0.000324606 -3.5399 63.546000 Cu 0.324982 0.881595 2.81775e-16 161 63.546 4.23903e-05 -3.53997 63.546000 Cu 0.413496 0.905945 0 162 63.546 0.00020878 -3.53996 63.546000 Cu 0.442724 0.886475 0.5 163 63.546 1.63492e-05 -3.53995 63.546000 Cu 0.295857 0.901099 0.5 164 63.546 2.85597e-05 -3.53996 63.546000 Cu 0.5605 0.891369 0 165 63.546 8.16316e-05 -3.53994 63.546000 Cu 0.649068 0.915762 1 166 63.546 0.000324606 -3.5399 63.546000 Cu 0.678177 0.896235 0.5 167 63.546 1.69692e-05 -3.53995 63.546000 Cu 0.531343 0.910846 0.5 168 63.546 9.45374e-05 -3.53992 63.546000 Cu 0.942724 0.886475 7.06841e-17 154 63.546 1.63492e-05 -3.53995 63.546000 Cu 0.824982 0.881595 0.5 156 63.546 4.23903e-05 -3.53997 63.546000 Cu 0.795857 0.901099 3.04615e-16 169 63.546 2.85597e-05 -3.53996 63.546000 Cu 0.913496 0.905945 0.5 171 63.546 0.00020878 -3.53996 63.546000 Cu 0.119946 0.935237 1.19009e-16 174 63.546 0.000927898 -3.53983 63.546000 Cu 0.00188557 0.930278 0.5 175 63.546 0.00125801 -3.5399 63.546000 Cu 0.0898438 0.95457 0.5 191 63.546 0.00978796 -3.53852 63.546000 Cu 0.237892 0.940173 0.5 180 63.546 0.00211478 -3.5396 63.546000 Cu 0.209139 0.959588 1 193 63.546 0.0125256 -3.53732 63.546000 Cu 0.26675 0.920624 1 177 63.546 9.1839e-05 -3.53994 63.546000 Cu 0.355425 0.945003 1 178 63.546 0.0011558 -3.5398 63.546000 Cu 0.38432 0.92546 0.5 179 63.546 0.0002235 -3.53995 63.546000 Cu 0.472597 0.949844 0.5 184 63.546 0.00214664 -3.53973 63.546000 Cu 0.501886 0.930278 1 181 63.546 0.00125801 -3.5399 63.546000 Cu 0.589844 0.95457 2.40422e-16 182 63.546 0.00978796 -3.53852 63.546000 Cu 0.619946 0.935237 0.5 183 63.546 0.000927898 -3.53983 63.546000 Cu 0.737892 0.940173 1 185 63.546 0.00211478 -3.5396 63.546000 Cu 0.709139 0.959588 0.5 188 63.546 0.0125256 -3.53732 63.546000 Cu 0.972597 0.949844 2.5629e-16 189 63.546 0.00214664 -3.53973 63.546000 Cu 0.88432 0.92546 8.82349e-17 170 63.546 0.0002235 -3.53995 63.546000 Cu 0.76675 0.920624 0.5 172 63.546 9.1839e-05 -3.53994 63.546000 Cu 0.855425 0.945003 0.5 187 63.546 0.0011558 -3.5398 63.546000 Cu 0.151235 0.997344 1 208 63.546 3.18243 -3.43423 63.546000 Cu 0.0597912 0.974216 0 190 63.546 0.0591262 -3.53533 63.546000 Cu 0.177948 0.978403 0.5 196 63.546 0.0969291 -3.52668 63.546000 Cu 0.0248201 0.994003 0.5 204 63.546 0.670057 -3.46138 63.546000 Cu 0.300447 0.984113 5.40709e-16 194 63.546 0.434632 -3.4752 63.546000 Cu 0.327311 0.964679 0.5 195 63.546 0.0293158 -3.53399 63.546000 Cu 0.443261 0.969544 3.55584e-16 197 63.546 0.0366328 -3.53369 63.546000 Cu 0.416477 0.990341 0.5 200 63.546 0.585702 -3.44162 63.546000 Cu 0.651235 0.997344 0.5 225 63.546 3.18243 -3.43423 63.546000 Cu 0.52482 0.994003 2.38018e-16 198 63.546 0.670057 -3.46138 63.546000 Cu 0.559791 0.974216 0.5 199 63.546 0.0591262 -3.53533 63.546000 Cu 0.677948 0.978403 2.31527e-16 201 63.546 0.0969291 -3.52668 63.546000 Cu 0.827311 0.964679 3.12549e-18 186 63.546 0.0293158 -3.53399 63.546000 Cu 0.943261 0.969544 0.5 192 63.546 0.0366328 -3.53369 63.546000 Cu 0.800447 0.984113 0.5 202 63.546 0.434632 -3.4752 63.546000 Cu 0.916477 0.990341 0 203 63.546 0.585702 -3.44162